Dear Developers and Users,
I am using USPEX2022.1 & GULP6.1.2 to predict the crystal structure of a small organic molecule. When finished, all space groups have reduced into P 1, though they were created in different space groups.
No such problem was met when other codes (for example, USPEX & VASP) were used.
I am confusing if there is something wrong with the “space” option in ginput file. According to the manual:
“The space option is not compulsory in the input of a structure and if it is absent then GULP will assume that the structure is in P 1 (i.e. no symmetry).”
My question: Can the “space” option be set as variable (which quote a number generated by USPEX) ?
If you can provide solutions, it will be a great help for a fresh user like me.
With best regards.